2-nonan-2-ylfuran

C13H22O — CID 160791396

IUPAC2-nonan-2-ylfuran
SMILESCCCCCCCC(C)c1ccco1
InChIInChI=1S/C13H22O/c1-3-4-5-6-7-9-12(2)13-10-8-11-14-13/h8,10-12H,3-7,9H2,1-2H3
InChIKeyLGFNXHKSWZOTEM-UHFFFAOYSA-N
MW194.32 g/mol
LogP4.74
Rot. Bonds7

About 2-nonan-2-ylfuran

2-nonan-2-ylfuran (PubChem CID 160791396) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 2-nonan-2-ylfuran.

Molecular Properties

Compound Name2-nonan-2-ylfuran
PubChem CID160791396
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name2-nonan-2-ylfuran
SMILESCCCCCCCC(C)c1ccco1
InChIInChI=1S/C13H22O/c1-3-4-5-6-7-9-12(2)13-10-8-11-14-13/h8,10-12H,3-7,9H2,1-2H3
InChIKeyLGFNXHKSWZOTEM-UHFFFAOYSA-N
XLogP4.74
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-nonan-2-ylfuran?
The IUPAC name of 2-nonan-2-ylfuran (CID 160791396) is 2-nonan-2-ylfuran.
What is the SMILES notation for 2-nonan-2-ylfuran?
The canonical SMILES for 2-nonan-2-ylfuran is CCCCCCCC(C)c1ccco1.
What is the InChIKey of 2-nonan-2-ylfuran?
The InChIKey is LGFNXHKSWZOTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-3-4-5-6-7-9-12(2)13-10-8-11-14-13/h8,10-12H,3-7,9H2,1-2H3.
What are the key properties of 2-nonan-2-ylfuran?
2-nonan-2-ylfuran has a molecular weight of 194.32 g/mol, XLogP of 4.74, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nonan-2-ylfuran is sourced from PubChem (CID 160791396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).